5FYD
Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-01 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.770, 83.040, 47.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.280 - 1.600 |
| R-factor | 0.17775 |
| Rwork | 0.176 |
| R-free | 0.20882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ahh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.317 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.600 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.110 | 0.900 |
| Number of reflections | 61266 | |
| <I/σ(I)> | 12.1 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1 M SODIUM FORMATE, 100 MM SODIUM ACETATE PH 4.6, ROOM TEMPERATURE |
